4-butyl-7-methyl-5-[2-oxidanylidene-2-(4-pyrrolidin-1-ylphenyl)ethoxy]chromen-2-one

Systemtic Name: 4-butyl-7-methyl-5-[2-oxidanylidene-2-(4-pyrrolidin-1-ylphenyl)ethoxy]chromen-2-one Openeye Name: 4-butyl-7-methyl-5-[2-oxo-2-(4-pyrrolidin-1-ylphenyl)ethoxy]chromen-2-one CAS Name: 4-butyl-7-methyl-5-[2-oxo-2-[4-(1-pyrrolidinyl)phenyl]ethoxy]-1-benzopyran-2-one IUPAC Name: 4-butyl-7-methyl-5-[2-oxo-2-(4-pyrrolidin-1-ylphenyl)ethoxy]chromen-2-one Traditional Name: 4-butyl-5-[2-keto-2-(4-pyrrolidinophenyl)ethoxy]-7-methyl-coumarin Formula: C26H29NO4 MolecularWeight: 419.51276

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC(=O)OC2=C1C(=CC(=C2)C)OCC(=O)C3=CC=C(C=C3)N4CCCC4

Isomeric SMILES

CCCCC1=CC(=O)OC2=C1C(=CC(=C2)C)OCC(=O)C3=CC=C(C=C3)N4CCCC4

InChI

InChI=1S/C26H29NO4/c1-3-4-7-20-16-25(29)31-24-15-18(2)14-23(26(20)24)30-17-22(28)19-8-10-21(11-9-19)27-12-5-6-13-27/h8-11,14-16H,3-7,12-13,17H2,1-2H3